# generated using pymatgen
data_LiFe8(O7F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.40240945
_cell_length_b   7.29362573
_cell_length_c   5.54690244
_cell_angle_alpha   108.70983237
_cell_angle_beta   109.46777672
_cell_angle_gamma   81.77709493
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe8(O7F)2
_chemical_formula_sum   'Li1 Fe8 O14 F2'
_cell_volume   267.21801936
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.36830700  0.86859800  0.23496800  1
  Fe  Fe1  1  0.74678100  0.23866700  0.50450400  1
  Fe  Fe2  1  0.52246000  0.99814400  0.96631900  1
  Fe  Fe3  1  0.24033700  0.26830100  0.52815100  1
  Fe  Fe4  1  0.75446400  0.75260400  0.47908000  1
  Fe  Fe5  1  0.51648700  0.48715100  0.00314700  1
  Fe  Fe6  1  0.97973100  0.01422300  0.00767900  1
  Fe  Fe7  1  0.22621700  0.75989300  0.53118400  1
  Fe  Fe8  1  0.01955000  0.50072600  0.02242900  1
  O  O9  1  0.97903500  0.17191600  0.35993400  1
  O  O10  1  0.91983300  0.23769500  0.85724800  1
  O  O11  1  0.59126200  0.25809300  0.14444000  1
  O  O12  1  0.33279000  0.01264000  0.63303900  1
  O  O13  1  0.52142500  0.33355300  0.65982000  1
  O  O14  1  0.77580400  0.58025200  0.14629300  1
  O  O15  1  0.72836200  0.90504100  0.81783900  1
  O  O16  1  0.24887100  0.42720100  0.88481800  1
  O  O17  1  0.50630700  0.65202300  0.34396900  1
  O  O18  1  0.64532500  0.97433100  0.31953400  1
  O  O19  1  0.16963400  0.49570100  0.38463800  1
  O  O20  1  0.40962500  0.75020400  0.86488000  1
  O  O21  1  0.10037300  0.77902600  0.17451600  1
  O  O22  1  0.00746800  0.84251100  0.66011900  1
  F  F23  1  0.84489300  0.51888900  0.65313500  1
  F  F24  1  0.26132300  0.09854300  0.15165100  1
